(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid

C20H20N2O3 — CID 689494

IUPAC(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H20N2O3/c23-20(24)9-6-16-2-1-3-18(14-16)21-15-17-4-7-19(8-5-17)22-10-12-25-13-11-22/h1-9,14-15H,10-13H2,(H,23,24)/b9-6+,21-15+
InChIKeyKATPUEKMFBKDIU-BUMRDOBSSA-N
MW336.39 g/mol
LogP3.37
Rot. Bonds5

About (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid

(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid (PubChem CID 689494) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid
PubChem CID689494
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H20N2O3/c23-20(24)9-6-16-2-1-3-18(14-16)21-15-17-4-7-19(8-5-17)22-10-12-25-13-11-22/h1-9,14-15H,10-13H2,(H,23,24)/b9-6+,21-15+
InChIKeyKATPUEKMFBKDIU-BUMRDOBSSA-N
XLogP3.37
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N1,N1-Dimethyl-N4-(4-morpholinobenzylidene)-1,4-benzenediamine
CID 628093
(E)-3-[4-[(E)-1-(4-morpholin-4-ylphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 86271185
1-(4-morpholin-4-ylphenyl)-N-phenylmethanimine
CID 825839
N,N-dimethyl-4-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]aniline
CID 671021
3-({(E)-[4-(morpholin-4-yl)phenyl]methylidene}amino)benzoic acid
CID 683827
(4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6042083
(E)-3-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-enoic acid
CID 29018599
3-(3-Fluoro-4-morpholin-4-ylphenyl)prop-2-enoic acid
CID 74580678
(2E,4Z)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598271
(2E,4E)-5-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598273
5-(4-Morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91352140
(2E)-3-[4-(morpholin-4-yl)phenyl]prop-2-enoic acid
CID 888515

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid (CID 689494) is (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
The InChIKey is KATPUEKMFBKDIU-BUMRDOBSSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20(24)9-6-16-2-1-3-18(14-16)21-15-17-4-7-19(8-5-17)22-10-12-25-13-11-22/h1-9,14-15H,10-13H2,(H,23,24)/b9-6+,21-15+.
What are the key properties of (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid?
(E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid has a molecular weight of 336.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(4-morpholin-4-ylphenyl)methylideneamino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 689494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).